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1-[7-(2-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]-4-piperidinecarboxamide
SpectraBase Compound ID 6WmGC7FyWwf
InChI InChI=1S/C20H23FN6O3/c1-24-17-15(18(29)25(2)20(24)30)27(11-13-5-3-4-6-14(13)21)19(23-17)26-9-7-12(8-10-26)16(22)28/h3-6,12H,7-11H2,1-2H3,(H2,22,28)
InChIKey XQVQOLFFXXXFNQ-UHFFFAOYSA-N
Mol Weight 414.44 g/mol
Molecular Formula C20H23FN6O3
Exact Mass 414.181567 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FWHOKWpzXFa
Name 1-[7-(2-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]-4-piperidinecarboxamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H23FN6O3/c1-24-17-15(18(29)25(2)20(24)30)27(11-13-5-3-4-6-14(13)21)19(23-17)26-9-7-12(8-10-26)16(22)28/h3-6,12H,7-11H2,1-2H3,(H2,22,28)
InChIKey XQVQOLFFXXXFNQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25706
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D60593; Labnumber: LRP02-0763; SBI_ID: SBI-025710
Temperature 308 °C